(2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

C20H20N4O2 — CID 92561751

IUPAC(2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(c2nnc(-c3ccccn3)o2)CC1
InChIInChI=1S/C20H20N4O2/c1-14-6-2-3-7-16(14)20(25)24-12-9-15(10-13-24)18-22-23-19(26-18)17-8-4-5-11-21-17/h2-8,11,15H,9-10,12-13H2,1H3
InChIKeyXZCGGINECAFMRF-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.46
Rot. Bonds3

About (2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

(2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 92561751) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID92561751
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(c2nnc(-c3ccccn3)o2)CC1
InChIInChI=1S/C20H20N4O2/c1-14-6-2-3-7-16(14)20(25)24-12-9-15(10-13-24)18-22-23-19(26-18)17-8-4-5-11-21-17/h2-8,11,15H,9-10,12-13H2,1H3
InChIKeyXZCGGINECAFMRF-UHFFFAOYSA-N
XLogP3.46
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-propyl-1,2-oxazol-3-yl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92590317
[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 92576674
(2-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 92598886
(2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 95849840
[3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 75615733
1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963272
3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92574587
[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 53134203
[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 92560463
4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 98065276
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
(4-hydroxypiperidin-1-yl)-(2-methyl-3-pyridin-2-ylphenyl)methanone
CID 109399319

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 92561751) is (2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is Cc1ccccc1C(=O)N1CCC(c2nnc(-c3ccccn3)o2)CC1.
What is the InChIKey of (2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is XZCGGINECAFMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-6-2-3-7-16(14)20(25)24-12-9-15(10-13-24)18-22-23-19(26-18)17-8-4-5-11-21-17/h2-8,11,15H,9-10,12-13H2,1H3.
What are the key properties of (2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92561751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).